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8BWG
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BU of 8bwg by Molmil
HRas (1-166) Y64 phosphorylation
Descriptor: GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Baumann, P, Jin, Y.
Deposit date:2022-12-06
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes.
Commun Chem, 7, 2024
8BOS
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BU of 8bos by Molmil
Transition state analogue complex of small G protein and its GAP effector
Descriptor: GTPase HRas, GUANIDINE, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Baumann, P, Jin, Y.
Deposit date:2022-11-15
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A small G protein with MgF3 TSA complex
To Be Published
8CNN
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BU of 8cnn by Molmil
BeF3 Phospho-HRas GSA complex
Descriptor: ACETATE ION, BERYLLIUM TRIFLUORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Baumann, P, Jin, Y.
Deposit date:2023-02-23
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes.
Commun Chem, 7, 2024
8CNJ
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BU of 8cnj by Molmil
HRas(1-166) in complex with GDP and BeF3-
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, BERYLLIUM TRIFLUORIDE ION, GTPase HRas, ...
Authors:Baumann, P, Jin, Y.
Deposit date:2023-02-23
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Far-reaching effects of tyrosine64 phosphorylation on Ras revealed with BeF 3 - complexes.
Commun Chem, 7, 2024
7QSC
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BU of 7qsc by Molmil
GTPase IN COMPLEX WITH GDP.MGF3-
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ...
Authors:Baumann, P, Jin, Y.
Deposit date:2022-01-13
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:GTPase IN COMPLEX WITH GDP.MGF3-
To Be Published
7QTM
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BU of 7qtm by Molmil
Transition state analogue of small G protein in complex with relevant GAP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rho GTPase-activating protein 1, ...
Authors:Baumann, P, Jin, Y.
Deposit date:2022-01-14
Release date:2023-01-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Transition state analogue of small G protein in complex with relevant GAP
To Be Published
1QZG
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BU of 1qzg by Molmil
Crystal structure of Pot1 (protection of telomere)- ssDNA complex
Descriptor: Protection of telomeres protein 1, THYMIDINE-5'-PHOSPHATE, telomeric single-stranded DNA
Authors:Lei, M, Podell, E.R, Baumann, P, Cech, T.R.
Deposit date:2003-09-16
Release date:2003-11-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:DNA self-recognition in the structure of Pot1 bound to telomeric single-stranded DNA
Nature, 426, 2003
1QZH
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BU of 1qzh by Molmil
Crystal structure of Pot1 (protection of telomere)- ssDNA complex
Descriptor: Protection of telomeres protein 1, telomeric single-stranded DNA
Authors:Lei, M, Podell, E.R, Baumann, P, Cech, T.R.
Deposit date:2003-09-16
Release date:2003-11-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:DNA self-recognition in the structure of Pot1 bound to telomeric single-stranded DNA
Nature, 426, 2003
8QNZ
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BU of 8qnz by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem
Descriptor: (2R)-2-[(2S,3R)-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-(2-methanimidamidoethylsulfanyl)-2,3-dihydro-1H-pyrrole -5-carboxylic acid, 1-BUTANOL, BROMIDE ION, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2023-09-27
Release date:2023-11-08
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity.
Acs Cent.Sci., 9, 2023
7NRJ
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BU of 7nrj by Molmil
Crystal Structure of a Class D carbapenemase complexed with iodide
Descriptor: 1-BUTANOL, Beta-lactamase, GLYCEROL, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-03-04
Release date:2022-03-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O5N
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BU of 7o5n by Molmil
Crystal Structure of a Class D carbapenemase complexed with Avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, 1-BUTANOL, Beta-lactamase, ...
Authors:Zhou, Q, Zhang, Z, He, Y, Jin, Y.
Deposit date:2021-04-09
Release date:2022-04-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O5T
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BU of 7o5t by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Bromide
Descriptor: BROMIDE ION, Beta-lactamase
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-04-09
Release date:2022-04-20
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7O9N
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BU of 7o9n by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Bicarbonate
Descriptor: BICARBONATE ION, Beta-lactamase
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-04-16
Release date:2022-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PGO
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BU of 7pgo by Molmil
Crystal Structure of a Class D Carbapenemase_R250A
Descriptor: 1-BUTANOL, BROMIDE ION, Beta-lactamase
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-08-15
Release date:2022-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PEP
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BU of 7pep by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Hydrolyzed Imipenem
Descriptor: (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca rboxylic acid, 1-BUTANOL, BROMIDE ION, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-08-11
Release date:2022-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PFN
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BU of 7pfn by Molmil
Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Imipenem
Descriptor: 1-BUTANOL, Beta-lactamase, Imipenem, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-08-11
Release date:2022-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PEI
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BU of 7pei by Molmil
Crystal Structure of a Class D carbapenemase_E185A/R186A/R206A
Descriptor: Beta-lactamase, GLYCEROL, SULFATE ION
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-08-10
Release date:2022-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PEH
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BU of 7peh by Molmil
Crystal Structure of a Class D Carbapenemase
Descriptor: 1-BUTANOL, Beta-lactamase
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-08-10
Release date:2022-08-24
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PSE
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BU of 7pse by Molmil
Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Oxacillin
Descriptor: (2R,4S)-5,5-dimethyl-2-[(1R)-1-{[(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbonyl]amino}-2-oxoethyl]-1,3-thiazolidine-4-carb oxylic acid, 1-BUTANOL, Beta-lactamase, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-09-23
Release date:2022-10-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7PSF
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BU of 7psf by Molmil
Crystal Structure of a Class D Carbapenemase Complexed with Imipenem
Descriptor: 1-BUTANOL, BROMIDE ION, Beta-lactamase, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-09-23
Release date:2022-10-05
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7Q14
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BU of 7q14 by Molmil
Crystal Structure of a Class D Carbapenemase_K73ALY Complexed with Imipenem
Descriptor: 1-BUTANOL, BROMIDE ION, Beta-lactamase, ...
Authors:Zhou, Q, He, Y, Jin, Y.
Deposit date:2021-10-18
Release date:2022-11-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:An Ion-Pair Induced Intermediate Complex Captured in Class D Carbapenemase Reveals Chloride Ion as a Janus Effector Modulating Activity
Acs Cent.Sci., 2023
7DVB
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BU of 7dvb by Molmil
D335N variant of Bt4394 in complex with 6SO3-NAG-oxazoline intermediate
Descriptor: 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, [(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate
Authors:Zhang, Z, He, Y, Jin, Y.
Deposit date:2021-01-13
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 13, 2023
7DUP
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BU of 7dup by Molmil
Apo structure of wild type Bt4394, a GH20 family sulfoglycosidase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
Authors:Zhang, Z, He, Y, Jin, Y.
Deposit date:2021-01-10
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 13, 2023
7DVA
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BU of 7dva by Molmil
Structure of wild type Bt4394, a GH20 family sulfoglycosidase, in complex with 6S-GlcNAc
Descriptor: 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, GLYCEROL
Authors:Zhang, Z, He, Y, Jin, Y.
Deposit date:2021-01-13
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 13, 2023
6GQ3
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BU of 6gq3 by Molmil
Human asparagine synthetase (ASNS) in complex with 6-diazo-5-oxo-L-norleucine (DON) at 1.85 A resolution
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-OXO-L-NORLEUCINE, ...
Authors:Zhu, W, Radadiya, A, Bisson, C, Jin, Y, Nordin, B.E, Imasaki, T, Wenzel, S, Sedelnikova, S.E, Berry, A.H, Nomanbhoy, T.K, Kozarich, J.W, Takagi, Y, Rice, D.W, Richards, N.G.J.
Deposit date:2018-06-07
Release date:2019-09-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:High-resolution crystal structure of human asparagine synthetase enables analysis of inhibitor binding and selectivity.
Commun Biol, 2, 2019

 

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